REMARK  Name = BDB046130
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.512  -1.421   1.869  0.00  0.00    +0.232 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.702  -1.042   0.968  0.00  0.00    +0.021 C 
ATOM      3  C   LIG    1       -2.686  -0.694   0.178  0.00  0.00    -0.003 C 
BRANCH   3   4
ATOM      4  C   LIG    1       -3.802  -1.662   0.002  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1       -4.369  -2.330   1.101  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -5.423  -3.234   0.921  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -5.918  -3.481  -0.357  0.00  0.00    -0.038 A 
ATOM      8  C   LIG    1       -7.087  -4.470  -0.552  0.00  0.00    +0.030 C 
ATOM      9  C   LIG    1       -5.364  -2.832  -1.458  0.00  0.00    +0.005 A 
ATOM     10  C   LIG    1       -4.310  -1.927  -1.281  0.00  0.00    +0.009 A 
ENDBRANCH   3   4
BRANCH   3  11
ATOM     11  C   LIG    1       -2.609   0.637  -0.491  0.00  0.00    -0.017 A 
ATOM     12  C   LIG    1       -3.779   1.385  -0.704  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -3.725   2.638  -1.327  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1       -2.502   3.161  -1.743  0.00  0.00    -0.038 A 
ATOM     15  C   LIG    1       -2.459   4.541  -2.429  0.00  0.00    +0.030 C 
ATOM     16  C   LIG    1       -1.332   2.436  -1.540  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1       -1.383   1.181  -0.917  0.00  0.00    +0.009 A 
ENDBRANCH   3  11
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  O   LIG    1        0.549  -1.718   2.619  0.00  0.00    -0.472 OA
BRANCH  18  22
ATOM     19  C   LIG    1        3.933   0.196   1.155  0.00  0.00    -0.036 A 
ATOM     20  C   LIG    1        3.377   0.585   2.375  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        2.243  -0.069   2.862  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        1.664  -1.097   2.116  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1        2.236  -1.508   0.909  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        3.369  -0.852   0.425  0.00  0.00    +0.008 A 
BRANCH  19  25
ATOM     25  C   LIG    1        5.079   0.866   0.637  0.00  0.00    +0.059 C 
BRANCH  25  26
ATOM     26  C   LIG    1        6.253   1.509   0.009  0.00  0.00    +0.244 C 
BRANCH  26  27
ATOM     27  C   LIG    1        6.817   0.621  -1.150  0.00  0.00    +0.385 C 
ATOM     28  O   LIG    1        6.111   0.549  -2.200  0.00  0.00    -0.243 OA
ATOM     29  O   LIG    1        7.937   0.079  -0.903  0.00  0.00    -0.243 OA
ENDBRANCH  26  27
BRANCH  26  30
ATOM     30  O   LIG    1        5.837   2.791  -0.493  0.00  0.00    -0.351 OA
BRANCH  30  32
ATOM     31  C   LIG    1        8.075   4.493  -1.082  0.00  0.00    +0.035 C 
ATOM     32  C   LIG    1        6.893   3.543  -0.790  0.00  0.00    +0.142 C 
ENDBRANCH  30  32
ENDBRANCH  26  30
ENDBRANCH  25  26
ENDBRANCH  19  25
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 10